Pharmacological Analysis of Piper Longum for its Anti-cancer Potential Using Molecular Docking and In Silico Studies

Abstract

Molecular docking has been the main focus of an increasing number of computational research in medicinal chemistry, which has made the technology seem promising for computer-aided drug design. Angiogenesis is significantly influenced by platelet-derived growth factors (PDGFs) and their tyrosine kinase receptors (PDGFRs), which have been linked to the pathophysiology of several tumor forms. PDGF can induce autocrine stimulation of cancerous cells, over stimulation of PDGFRs, or angiogenesis inside the tumor cells to promote tumor growth. These processes may offer potential targets for therapy. Additionally, PDGFR inhibition may improve medication delivery and decrease the interstitial fluid (IF) pressure within solid tumors. Using the drug likeness criteria of Lipinski's test (Rule of five), seven bioactive compounds from ethanolic extract of Piper longum were evaluated as anticancer agents against PDGFRs in this study. A molecular docking between active constituents and PDGFRs was carried out. To ascertain their pharmacokinetic actions, ligands with appropriate drug similarity and binding energy were examined further. These compounds are powerful anticancer agents, and additional information about them was provided by analyses such as ADME, and bioavailability radar analysis.